N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide

C15H15FN2O3 — CID 110179642

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
SMILESCC(O)CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C15H15FN2O3/c1-10(19)8-14(20)18-12-4-7-15(17-9-12)21-13-5-2-11(16)3-6-13/h2-7,9-10,19H,8H2,1H3,(H,18,20)
InChIKeyZUCCCXVPITZJQJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.72
Rot. Bonds5

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide (PubChem CID 110179642) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
PubChem CID110179642
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
SMILESCC(O)CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C15H15FN2O3/c1-10(19)8-14(20)18-12-4-7-15(17-9-12)21-13-5-2-11(16)3-6-13/h2-7,9-10,19H,8H2,1H3,(H,18,20)
InChIKeyZUCCCXVPITZJQJ-UHFFFAOYSA-N
XLogP2.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide (CID 110179642) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide is CC(O)CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide?
The InChIKey is ZUCCCXVPITZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10(19)8-14(20)18-12-4-7-15(17-9-12)21-13-5-2-11(16)3-6-13/h2-7,9-10,19H,8H2,1H3,(H,18,20).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide has a molecular weight of 290.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide is sourced from PubChem (CID 110179642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).